CID 135432176

19962-37-9

Structural Information

Molecular Formula

C₇H₇N₅O₂

SMILES

CC(=O)NC1=NC2=C(C(=O)N1)NC=N2

InChI

InChI=1S/C7H7N5O2/c1-3(13)10-7-11-5-4(6(14)12-7)8-2-9-5/h2H,1H3,(H3,8,9,10,11,12,13,14)

InChIKey

MXSMRDDXWJSGMC-UHFFFAOYSA-N

Compound name

N-(6-oxo-1,7-dihydropurin-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 459
Patents: 193.05997 Da
Monoisotopic Mass: -0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	194.06725	137.8
[M+Na]+	216.04919	149.2
[M+NH4]+	211.09379	142.9
[M+K]+	232.02313	147.4
[M-H]-	192.05269	135.8
[M+Na-2H]-	214.03464	142.1
[M]+	193.05942	138.3
[M]-	193.06052	138.3

Literature stripe

literature stripe

Patent stripe

patents stripe